4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C12H21F3N4O — CID 63058817

IUPAC4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCOCCNCc1c(C)nn(C)c1N(C)CC(F)(F)F
InChIInChI=1S/C12H21F3N4O/c1-9-10(7-16-5-6-20-4)11(19(3)17-9)18(2)8-12(13,14)15/h16H,5-8H2,1-4H3
InChIKeyGYSNJIZKBJLVGC-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.46
Rot. Bonds7

About 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63058817) has the molecular formula C12H21F3N4O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63058817
Molecular FormulaC12H21F3N4O
Molecular Weight294.32 g/mol
Exact Mass294.17
IUPAC Name4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCOCCNCc1c(C)nn(C)c1N(C)CC(F)(F)F
InChIInChI=1S/C12H21F3N4O/c1-9-10(7-16-5-6-20-4)11(19(3)17-9)18(2)8-12(13,14)15/h16H,5-8H2,1-4H3
InChIKeyGYSNJIZKBJLVGC-UHFFFAOYSA-N
XLogP1.46
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63058817) is 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is COCCNCc1c(C)nn(C)c1N(C)CC(F)(F)F.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is GYSNJIZKBJLVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O/c1-9-10(7-16-5-6-20-4)11(19(3)17-9)18(2)8-12(13,14)15/h16H,5-8H2,1-4H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 294.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63058817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).